SCHEMBL11536639

SCHEMBL11536639

FCCCC1(c2ccc(Cl)cc2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
KDM1A O60341 1/20 0.34
ALDH1A1 P00352 2/20 0.32
ICMT O60725 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
UTS2R Q9UKP6 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1593327 0.84 ALDH1A1 (0.33) SLC6A4SLC6A3MAOAMAOBKDM1A
SCHEMBL8374363 0.83 SLC6A4 (0.37) SLC6A4SLC6A3MAOAMAOBKDM1A
SCHEMBL11239172 0.83 MAOA (0.34) SLC6A4SLC6A3MAOAMAOBKDM1A
SCHEMBL11242024 0.83 SLC6A4 (0.33) SLC6A4SLC6A3MAOAMAOBKDM1A
SCHEMBL7877014 0.82 SLC6A4 (0.41) SLC6A4SLC6A3MAOAMAOBKDM1A
SCHEMBL27430431 0.82 TSHR (0.43) MAOAMAOBICMTTSHRMAPK1
SCHEMBL11234154 0.80 SLC6A4 (0.35) SLC6A4SLC6A3MAOAMAOBKDM1A
SCHEMBL28011963 0.79 MAOA (0.36) SLC6A4SLC6A3MAOAMAOBKDM1A
SCHEMBL11240325 0.77 SLC6A4 (0.33) SLC6A4SLC6A3MAOAMAOBKDM1A
SCHEMBL11246022 0.77 SLC6A4 (0.34) SLC6A4SLC6A3ALDH1A1LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4154731-A ANTISECRETORY AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-05-15 US disclosed
US-4105670-A ANTISECRETORY, ANTIINFLAMMATORY, ANALGESIC, DECARBOXYLATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-08-08 US disclosed